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	hartrees
Energy at 0K	-157.132763
Energy at 298.15K	-157.140380
Nuclear repulsion energy	114.800821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3045	3022	0.00
2	A	3031	3007	0.00
3	A	2947	2924	0.00
4	A	1695	1682	0.00
5	A	1466	1454	0.00
6	A	1389	1379	0.00
7	A	1303	1293	0.00
8	A	1137	1129	0.00
9	A	854	847	0.00
10	A	487	484	0.00
11	A	2988	2965	62.44
12	A	1457	1446	8.85
13	A	1044	1036	0.04
14	A	977	970	21.26
15	A	239	237	2.71
16	A	174	173	1.18
17	A	2988	2965	0.00
18	A	1457	1446	0.00
19	A	1032	1024	0.00
20	A	727	722	0.00
21	A	227	225	0.00
22	A	3054	3031	95.82
23	A	3028	3005	14.47
24	A	2946	2924	80.00
25	A	1474	1463	11.07
26	A	1387	1376	2.22
27	A	1301	1291	7.96
28	A	1046	1038	1.78
29	A	966	959	14.33
30	A	271	269	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.673	0.000
C2	0.000	-0.673	0.000
C3	-1.232	1.548	0.000
C4	1.232	-1.548	0.000
H5	0.965	1.199	0.000
H6	-0.965	-1.199	0.000
H7	-2.156	0.948	0.000
H8	2.156	-0.948	0.000
H9	-1.256	2.210	0.884
H10	-1.256	2.210	-0.884
H11	1.256	-2.210	0.884
H12	1.256	-2.210	-0.884

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3456	1.5107	2.5390	1.0988	2.1054	2.1731	2.6969	2.1730	2.1730	3.2663	3.2663
C2	1.3456		2.5390	1.5107	2.1054	1.0988	2.6969	2.1731	3.2663	3.2663	2.1730	2.1730
C3	1.5107	2.5390		3.9557	2.2240	2.7591	1.1014	4.2072	1.1051	1.1051	4.5921	4.5921
C4	2.5390	1.5107	3.9557		2.7591	2.2240	4.2072	1.1014	4.5921	4.5921	1.1051	1.1051
H5	1.0988	2.1054	2.2240	2.7591		3.0773	3.1304	2.4547	2.5956	2.5956	3.5332	3.5332
H6	2.1054	1.0988	2.7591	2.2240	3.0773		2.4547	3.1304	3.5332	3.5332	2.5956	2.5956
H7	2.1731	2.6969	1.1014	4.2072	3.1304	2.4547		4.7096	1.7841	1.7841	4.7321	4.7321
H8	2.6969	2.1731	4.2072	1.1014	2.4547	3.1304	4.7096		4.7321	4.7321	1.7841	1.7841
H9	2.1730	3.2663	1.1051	4.5921	2.5956	3.5332	1.7841	4.7321		1.7688	5.0835	5.3824
H10	2.1730	3.2663	1.1051	4.5921	2.5956	3.5332	1.7841	4.7321	1.7688		5.3824	5.0835
H11	3.2663	2.1730	4.5921	1.1051	3.5332	2.5956	4.7321	1.7841	5.0835	5.3824		1.7688
H12	3.2663	2.1730	4.5921	1.1051	3.5332	2.5956	4.7321	1.7841	5.3824	5.0835	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	125.384	C1	C2	H6	118.589
C1	C3	H7	111.637	C1	C3	H9	111.408
C1	C3	H10	111.408	C2	C1	C3	125.384
C2	C1	H5	118.589	C2	C4	H8	111.637
C2	C4	H11	111.408	C2	C4	H12	111.408
C3	C1	H5	116.027	C4	C2	H6	116.027
H7	C3	H9	107.914	H7	C3	H10	107.914
H8	C4	H11	107.914	H8	C4	H12	107.914
H9	C3	H10	106.319	H11	C4	H12	106.319

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (E)-)

using model chemistry: BLYP/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.050
2	C	-0.028
3	H	0.050
4	C	-0.028
5	H	0.094
6	H	0.100
7	H	0.100
8	C	-0.318
9	H	0.094
10	H	0.100
11	H	0.100
12	C	-0.318

<r²>	113.470
(<r²>)^1/2	10.652

All results from a given calculation for CH3CHCHCH3 (2-Butene, (E)-)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (E)-)